CID 7019666

(2s)-4-amino-2-{[(tert-butoxy)carbonyl]amino}butanoic acid

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CCN)C(=O)O
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChIKey
MDCPCLPRWLKUIQ-LURJTMIESA-N
Compound name
(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

327
Patents

218.12666 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 150.7
[M+Na]+ 241.11588 154.9
[M-H]- 217.11938 148.9
[M+NH4]+ 236.16048 167.5
[M+K]+ 257.08982 155.3
[M+H-H2O]+ 201.12392 145.3
[M+HCOO]- 263.12486 170.3
[M+CH3COO]- 277.14051 190.3
[M+Na-2H]- 239.10133 152.2
[M]+ 218.12611 150.1
[M]- 218.12721 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe